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Chemical ID: 6675833
Chemical ID:
6675833
Name [?]:
2-benzamido-N-[(4-dimethylaminophenyl)methyleneamino]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=NNC(=O)c2ccccc2NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N4O2/c1-27(2)19-14-12-17(13-15-19)16-24-26-23(29)20-10-6-7-11-21(20)25-22(28)18-8-4-3-5-9-18/h3-16H,1-2H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,27,26,28,17,18,25,29,16,19,6,8,5,9,10,7,24,4,15,20,22,13,11,21,12,2,23,14/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:29nCNCCCCCCCCNNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5711 |
Area: | 618.068 |
Solvation: | -3.88059 |
Coulombic: | -49.6228 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.6 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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